Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 696.7 BDBM50141903

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141903 ((R)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethyl-be...) Show SMILES CCn1nc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C36H43F7N4O2/c1-5-47-31(18-29(44-47)15-22-13-26(35(38,39)40)17-27(14-22)36(41,42)43)23-9-11-45(12-10-23)19-25-20-46(32(33(48)49)34(2,3)4)21-30(25)24-7-6-8-28(37)16-24/h6-8,13-14,16-18,23,25,30,32H,5,9-12,15,19-21H2,1-4H3,(H,48,49)/t25-,30+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
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